(1S)-2-amino-1-phenylmethoxyethanol

C9H13NO2 — CID 153447781

IUPAC(1S)-2-amino-1-phenylmethoxyethanol
SMILESNC[C@@H](O)OCc1ccccc1
InChIInChI=1S/C9H13NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
InChIKeyMQWPZDFKNCYCID-VIFPVBQESA-N
MW167.21 g/mol
LogP0.48
Rot. Bonds4

About (1S)-2-amino-1-phenylmethoxyethanol

(1S)-2-amino-1-phenylmethoxyethanol (PubChem CID 153447781) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S)-2-amino-1-phenylmethoxyethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-phenylmethoxyethanol
PubChem CID153447781
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(1S)-2-amino-1-phenylmethoxyethanol
SMILESNC[C@@H](O)OCc1ccccc1
InChIInChI=1S/C9H13NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
InChIKeyMQWPZDFKNCYCID-VIFPVBQESA-N
XLogP0.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-hydroxy-4-phenylmethoxybutanoic acid
CID 130311408
4-hydroxy-4-phenylmethoxybutan-2-one
CID 130149628
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
benzyl 3-hydroxy-2-methyl-3-phenylmethoxypropanoate
CID 167055654
1-phenylmethoxydecan-1-ol
CID 152749890
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
3-isocyanato-1-phenylmethoxypropan-1-ol
CID 86584164
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
3-[hydroxy(phenylmethoxy)methyl]cyclobutan-1-ol
CID 137373862
(2R)-2-amino-2-phenylmethoxyacetamide
CID 129192787
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-phenylmethoxyethanol?
The IUPAC name of (1S)-2-amino-1-phenylmethoxyethanol (CID 153447781) is (1S)-2-amino-1-phenylmethoxyethanol.
What is the SMILES notation for (1S)-2-amino-1-phenylmethoxyethanol?
The canonical SMILES for (1S)-2-amino-1-phenylmethoxyethanol is NC[C@@H](O)OCc1ccccc1.
What is the InChIKey of (1S)-2-amino-1-phenylmethoxyethanol?
The InChIKey is MQWPZDFKNCYCID-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1.
What are the key properties of (1S)-2-amino-1-phenylmethoxyethanol?
(1S)-2-amino-1-phenylmethoxyethanol has a molecular weight of 167.21 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-phenylmethoxyethanol is sourced from PubChem (CID 153447781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).